tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

C76H101ClN24O13 — CID 159604153

About tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine

tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (PubChem CID 159604153) has the molecular formula C76H101ClN24O13 and a molecular weight of 1594.25 g/mol. Its IUPAC name is tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• PubChem CID: 159604153
• Molecular Formula: C76H101ClN24O13
• Molecular Weight: 1594.25 g/mol
• Exact Mass: 1592.77
• IUPAC Name: tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine
• SMILES: CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC3)c2n1.COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)NC3CC3)c2n1
• InChI: InChI=1S/C27H36N8O5.C22H28N8O3.C21H29ClN6O4.C6H8N2O/c1-27(2,3)40-26(37)34(11-10-33-12-14-39-15-13-33)22-16-21(31-20-6-5-9-28-25(20)38-4)32-23-19(17-29-35(22)23)24(36)30-18-7-8-18;1-32-22-17(3-2-6-24-22)27-18-13-19(23-7-8-29-9-11-33-12-10-29)30-20(28-18)16(14-25-30)21(31)26-15-4-5-15;1-21(2,3)32-20(30)27(7-6-26-8-10-31-11-9-26)17-12-16(22)25-18-15(13-23-28(17)18)19(29)24-14-4-5-14;1-9-6-5(7)3-2-4-8-6/h5-6,9,16-18H,7-8,10-15H2,1-4H3,(H,30,36)(H,31,32);2-3,6,13-15,23H,4-5,7-12H2,1H3,(H,26,31)(H,27,28);12-14H,4-11H2,1-3H3,(H,24,29);2-4H,7H2,1H3
• InChIKey: MLWAKPVQKNNBED-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 402.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.25
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The IUPAC name of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine (CID 159604153) is tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine.

What is the SMILES notation for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The canonical SMILES for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is CC(C)(C)OC(=O)N(CCN1CCOCC1)c1cc(Cl)nc2c(C(=O)NC3CC3)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(CCN2CCOCC2)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC3)c2n1.COc1ncccc1Nc1cc(NCCN2CCOCC2)n2ncc(C(=O)NC3CC3)c2n1.

What is the InChIKey of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

The InChIKey is MLWAKPVQKNNBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O5.C22H28N8O3.C21H29ClN6O4.C6H8N2O/c1-27(2,3)40-26(37)34(11-10-33-12-14-39-15-13-33)22-16-21(31-20-6-5-9-28-25(20)38-4)32-23-19(17-29-35(22)23)24(36)30-18-7-8-18;1-32-22-17(3-2-6-24-22)27-18-13-19(23-7-8-29-9-11-33-12-10-29)30-20(28-18)16(14-25-30)21(31)26-15-4-5-15;1-21(2,3)32-20(30)27(7-6-26-8-10-31-11-9-26)17-12-16(22)25-18-15(13-23-28(17)18)19(29)24-14-4-5-14;1-9-6-5(7)3-2-4-8-6/h5-6,9,16-18H,7-8,10-15H2,1-4H3,(H,30,36)(H,31,32);2-3,6,13-15,23H,4-5,7-12H2,1H3,(H,26,31)(H,27,28);12-14H,4-11H2,1-3H3,(H,24,29);2-4H,7H2,1H3.

What are the key properties of tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine?

tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine has a molecular weight of 1594.25 g/mol, XLogP of 7.38, 25 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine is sourced from PubChem (CID 159604153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).